%chk=000229516.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229516

0 1
O -0.211257 1.682945 1.200630
N -2.224333 0.075939 0.098243
N -0.834497 -0.167570 -0.057176
C -5.053591 -0.487125 -0.394258
C -4.369299 -0.841759 0.931379
C -4.329303 0.692000 -1.054868
C -2.874961 -1.132666 0.726258
C -2.835179 0.391357 -1.245833
C 0.087929 0.706619 0.551568
C 1.504657 0.278505 0.280784
C 2.336978 1.122452 -0.466459
C 2.005419 -0.917357 0.807556
C 4.171185 -0.443409 -0.182144
C 3.663250 0.760213 -0.701526
C 3.334187 -1.278255 0.576051
C 5.596230 -0.816651 -0.426680
H -5.058192 -1.362422 -1.070301
H -6.114661 -0.230190 -0.217206
H -4.482195 0.000737 1.645739
H -4.855707 -1.716094 1.400392
H -4.786236 0.933410 -2.031592
H -4.441004 1.598678 -0.423723
H -2.386439 -1.298542 1.712249
H -2.741090 -2.059432 0.130575
H -2.696963 -0.420746 -1.989348
H -2.318482 1.294231 -1.641302
H -0.517287 -0.946159 -0.638322
H 1.947401 2.065041 -0.854838
H 1.362915 -1.562187 1.407377
H 4.308619 1.416849 -1.281899
H 3.721514 -2.206314 0.991378
H 5.885872 -0.663649 -1.475777
H 6.271241 -0.200884 0.187728
H 5.809981 -1.865866 -0.184356


%chk=000229516-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229516

0 1
O -0.260208 1.955294 0.254283
N -2.268561 -0.040909 0.141416
N -0.873164 -0.297878 0.041228
C -5.128329 -0.436466 -0.296583
C -4.446071 -0.813946 1.038791
C -4.347276 0.703942 -0.989336
C -2.959380 -1.164486 0.819747
C -2.866591 0.319514 -1.177676
C 0.061859 0.737235 0.127754
C 1.499109 0.288305 0.026707
C 2.455812 1.230967 -0.428821
C 1.942352 -1.005285 0.404168
C 4.266869 -0.418691 -0.168568
C 3.815132 0.879465 -0.530359
C 3.308087 -1.350277 0.304609
C 5.738235 -0.782071 -0.260452
H -5.154947 -1.324529 -0.962286
H -6.177512 -0.134752 -0.119379
H -4.505764 0.040658 1.739001
H -4.954722 -1.674739 1.513372
H -4.788875 0.941066 -1.975771
H -4.396835 1.619413 -0.370156
H -2.453515 -1.340992 1.785021
H -2.890693 -2.109796 0.214929
H -2.786270 -0.534980 -1.898728
H -2.289593 1.169991 -1.578029
H -0.571297 -1.206763 -0.342333
H 2.107142 2.236056 -0.688627
H 1.235392 -1.735866 0.815268
H 4.540415 1.618962 -0.891631
H 3.636447 -2.351172 0.609485
H 6.165012 -0.489854 -1.237348
H 6.325837 -0.259921 0.519015
H 5.898604 -1.865792 -0.128412


